N-[4-(aminomethyl)-3-hydroxyphenyl]prop-2-ynamide

C10H10N2O2 — CID 82504643

IUPACN-[4-(aminomethyl)-3-hydroxyphenyl]prop-2-ynamide
SMILESC#CC(=O)Nc1ccc(CN)c(O)c1
InChIInChI=1S/C10H10N2O2/c1-2-10(14)12-8-4-3-7(6-11)9(13)5-8/h1,3-5,13H,6,11H2,(H,12,14)
InChIKeyJFICHCFQZNGOAR-UHFFFAOYSA-N
MW190.20 g/mol
LogP0.42
Rot. Bonds2

About N-[4-(aminomethyl)-3-hydroxyphenyl]prop-2-ynamide

N-[4-(aminomethyl)-3-hydroxyphenyl]prop-2-ynamide (PubChem CID 82504643) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is N-[4-(aminomethyl)-3-hydroxyphenyl]prop-2-ynamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)-3-hydroxyphenyl]prop-2-ynamide
PubChem CID82504643
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC NameN-[4-(aminomethyl)-3-hydroxyphenyl]prop-2-ynamide
SMILESC#CC(=O)Nc1ccc(CN)c(O)c1
InChIInChI=1S/C10H10N2O2/c1-2-10(14)12-8-4-3-7(6-11)9(13)5-8/h1,3-5,13H,6,11H2,(H,12,14)
InChIKeyJFICHCFQZNGOAR-UHFFFAOYSA-N
XLogP0.42
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-chloro-3-hydroxyphenyl)prop-2-ynamide
CID 64786729
N-[2-(aminomethyl)-5-chlorophenyl]prop-2-ynamide
CID 82507722
2-fluoro-5-(prop-2-ynoylamino)benzoic acid
CID 60826074
N-(4-methylphenyl)prop-2-ynamide
CID 14491742
N-[3-hydroxy-4-(hydroxymethyl)phenyl]acetamide
CID 162349141
N-(4-amino-3-methoxyphenyl)prop-2-ynamide
CID 61241972
2-bromo-5-(prop-2-ynoylamino)benzoic acid
CID 115295796
methyl 2-[4-(prop-2-ynoylamino)phenyl]acetate
CID 126853006
N-(4-cyanophenyl)prop-2-ynamide
CID 131045774
N-[3-(aminomethyl)-4-fluorophenyl]acetamide
CID 62317128
2-[2-(aminomethyl)phenyl]-N-(3-hydroxy-4-methylphenyl)acetamide
CID 107701531
N-[4-[(dimethylamino)methyl]-3-hydroxyphenyl]acetamide
CID 11735930

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-3-hydroxyphenyl]prop-2-ynamide?
The IUPAC name of N-[4-(aminomethyl)-3-hydroxyphenyl]prop-2-ynamide (CID 82504643) is N-[4-(aminomethyl)-3-hydroxyphenyl]prop-2-ynamide.
What is the SMILES notation for N-[4-(aminomethyl)-3-hydroxyphenyl]prop-2-ynamide?
The canonical SMILES for N-[4-(aminomethyl)-3-hydroxyphenyl]prop-2-ynamide is C#CC(=O)Nc1ccc(CN)c(O)c1.
What is the InChIKey of N-[4-(aminomethyl)-3-hydroxyphenyl]prop-2-ynamide?
The InChIKey is JFICHCFQZNGOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-2-10(14)12-8-4-3-7(6-11)9(13)5-8/h1,3-5,13H,6,11H2,(H,12,14).
What are the key properties of N-[4-(aminomethyl)-3-hydroxyphenyl]prop-2-ynamide?
N-[4-(aminomethyl)-3-hydroxyphenyl]prop-2-ynamide has a molecular weight of 190.20 g/mol, XLogP of 0.42, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-3-hydroxyphenyl]prop-2-ynamide is sourced from PubChem (CID 82504643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).